CAS Number: 537049-40-4
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CAS Number
537049-40-4
PubChem CID
6675804
Molecular Formula
C41H43N3O7S
Molecular Weight
721.9 g/mol
Exact Mass
721.282172
InChIKey
BHUZLJOUHMBZQY-YXQOSMAKSA-N
IUPAC Name
N-[4-[(2R,4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide
SMILES String
O=C(CCCCCCC(=O)Nc1ccc([C@H]2O[C@@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)C[C@@H](c3ccc(CO)cc3)O2)cc1)NO
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Tubacin (CAS 537049-40-4) is listed in the Advanced Chemicals portfolio, with molecular formula C41H43N3O7S and molecular weight 721. 90 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
ChEMBL reports experimental activity evidence for: Protein deacetylase HDAC6 (Homo sapiens) — 33 assays; Histone deacetylase 1 (Homo sapiens) — 17 assays; Histone deacetylase 2 (Homo sapiens) — 14 assays; Histone deacetylase 8 (Homo sapiens) — 13 assays; Histone deacetylase 3 (Homo sapiens) — 10 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Protein deacetylase HDAC6
Homo sapiens · SINGLE PROTEIN · 33 qualifying assays · 29 documents · best pChEMBL 9.05
Experimental evidence source: ChEMBL
Histone deacetylase 1
Homo sapiens · SINGLE PROTEIN · 17 qualifying assays · 16 documents · best pChEMBL 7.55
Experimental evidence source: ChEMBL
Histone deacetylase 2
Homo sapiens · SINGLE PROTEIN · 14 qualifying assays · 14 documents · best pChEMBL 7.38
Experimental evidence source: ChEMBL
Histone deacetylase 8
Homo sapiens · SINGLE PROTEIN · 13 qualifying assays · 13 documents · best pChEMBL 6.84
Experimental evidence source: ChEMBL
Histone deacetylase 3
Homo sapiens · SINGLE PROTEIN · 10 qualifying assays · 10 documents · best pChEMBL 6.75
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
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Tubacin is identified by CAS 537049-40-4, with molecular formula C41H43N3O7S, molecular weight 721.9, InChIKey BHUZLJOUHMBZQY-YXQOSMAKSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Protein deacetylase HDAC6, Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 8, Histone deacetylase 3. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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